3-BROMO-4-NITROBENZALDEHYDE
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3-BROMO-4-NITROBENZALDEHYDE
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CAS No:
101682-68-2
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Formula:
C7H4BrNO3
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Chemical Name:
3-BROMO-4-NITROBENZALDEHYDE
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Synonyms:
3-BROMO-4-NITROBENZALDEHYDE;Benzaldehyde, 3-bromo-4-nitro-
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CAS No:
Characteristics
62.9
2
1.781±0.06 g/cm3(Predicted)
97-99 °C(Solv: hexane (110-54-3))
311.6±27.0 °C(Predicted)
142.2±23.7 °C
1.653
0.001mmHg at 25°C
3-BROMO-4-NITROBENZALDEHYDE Use and Manufacturing
General procedure: To a stirring solution of 8 (0.3 mmol) in MeOH (5 mL) was added the corresponding aldehyde (0.4 mmol) and NaCNBH3 (0.5 mmol)at room temperature. The mixture was adjusted to pH 6-7 by acetic acid, stirred overnight at room temperature, and quenched by 1M NaOH solution (5 mL). The mixture was diluted by H2O (15 mL), and extracted by DCM (10mL x 3). The combined organic layer waswashed by brine, dried over anhydrous MgSO4, filtered, and concentrated. The residue was purified over silica gel column(DCM: MeOH = 20 : 1) to yield oils 9b-s (70-93%).
Computed Properties
Molecular Weight:230.02
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:228.93746
Monoisotopic Mass:228.93746
Topological Polar Surface Area:62.9
Heavy Atom Count:12
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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